N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H22N6O2 — CID 164605679

IUPACN-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2C[C@H]3C[C@@H]2CN3)cn1
InChIInChI=1S/C23H22N6O2/c24-10-17-7-19(21(12-26-17)31-20-8-16-5-15(20)11-25-16)14-3-4-29-18(6-14)9-22(28-29)27-23(30)13-1-2-13/h3-4,6-7,9,12-13,15-16,20,25H,1-2,5,8,11H2,(H,27,28,30)/t15-,16-,20-/m1/s1
InChIKeyQOIILUDGMBQXNW-JXXFODFXSA-N
MW414.47 g/mol
LogP2.75
Rot. Bonds5

About N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605679) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605679
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESN#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2C[C@H]3C[C@@H]2CN3)cn1
InChIInChI=1S/C23H22N6O2/c24-10-17-7-19(21(12-26-17)31-20-8-16-5-15(20)11-25-16)14-3-4-29-18(6-14)9-22(28-29)27-23(30)13-1-2-13/h3-4,6-7,9,12-13,15-16,20,25H,1-2,5,8,11H2,(H,27,28,30)/t15-,16-,20-/m1/s1
InChIKeyQOIILUDGMBQXNW-JXXFODFXSA-N
XLogP2.75
TPSA104.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605679) is N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(O[C@@H]2C[C@H]3C[C@@H]2CN3)cn1.
What is the InChIKey of N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is QOIILUDGMBQXNW-JXXFODFXSA-N. The full InChI is InChI=1S/C23H22N6O2/c24-10-17-7-19(21(12-26-17)31-20-8-16-5-15(20)11-25-16)14-3-4-29-18(6-14)9-22(28-29)27-23(30)13-1-2-13/h3-4,6-7,9,12-13,15-16,20,25H,1-2,5,8,11H2,(H,27,28,30)/t15-,16-,20-/m1/s1.
What are the key properties of N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]oxy]-2-cyano-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).